Vitas-M small molecule compound

ethyl 4-cyano-3-methyl-5-[(phenylcarbamothioyl)amino]thiophene-2-carboxylate

Catalog ID
STK084943
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=S)Nc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H15N3O2S2 MW 345.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O2S2/c1-3-21-15(20)13-10(2)12(9-17)14(23-13)19-16(22)18-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H2,18,19,22)
InChIKey
VWCGYLSOPHXKGY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=S)Nc1ccccc1
ETHYL4CYANO3METHYL5((PHENYLCARBAMOTHIOYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(PHENYLCARBAMOTHIOYLAMINO)THIOPHENE2CARBOXYLATE
InChI=1SC16H15N3O2S2c132115(20)1310(2)12(917)14(2313)1916(22)18117546811h48H3H212H3(H2181922)
MFCD01180311
STK084943
ZINC000000282114
ZINC00282114
ZINC282114

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.